Ti(SbO3)2
Alexandria ALEXAlex-ID: agm097127399 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2313_spg2
TiO2 SbO2
2025-04-07 04:52:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097127399).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm097127399
data_agm097127399
_cell_length_a 3.86983
_cell_length_b 3.91454
_cell_length_c 8.83916
_cell_angle_alpha 77.68409
_cell_angle_beta 102.63639
_cell_angle_gamma 89.99904
_cell_volume 127.49762
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti1 Ti 0.50680 0.70943 0.76314 1.00000
Sb1 Sb 0.65887 0.04328 0.06803 1.00000
Sb2 Sb 0.86519 0.57225 0.48048 1.00000
O1 O 0.62778 0.56864 0.00529 1.00000
O2 O 0.39224 0.74094 0.53443 1.00000
O3 O 0.53442 0.15865 0.81876 1.00000
O4 O 0.77446 0.99218 0.29923 1.00000
O5 O 0.98066 0.70643 0.71129 1.00000
O6 O 0.15958 0.00820 0.06934 1.00000
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